(1S,5R)-3-methyl-1,5-dinitro-7-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene

Systemtic Name: (1S,5R)-3-methyl-1,5-dinitro-7-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene Openeye Name: (1S,5R)-3-methyl-1,5-dinitro-7-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene CAS Name: (1S,5R)-3-methyl-1,5-dinitro-7-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene IUPAC Name: (1S,5R)-3-methyl-1,5-dinitro-7-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene Traditional Name: (1S,5R)-3-methyl-1,5-dinitro-7-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene Formula: C15H18N3O5+ MolecularWeight: 320.32052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC2(CC(=CC(C2)(C1)[N+](=O)[O-])OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1C[C@]2(CC(=C[C@](C2)(C1)[N+](=O)[O-])OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O5/c1-16-10-14(17(19)20)7-13(23-12-5-3-2-4-6-12)8-15(9-14,11-16)18(21)22/h2-7H,8-11H2,1H3/p+1/t14-,15+/m0/s1